SCHEMBL7723229

SCHEMBL7723229

O=C(NCc1ccncc1)N(CCO)CCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MAPT P10636 1/20 0.50
NAMPT P43490 6/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7729158 1.00 EPHX1 (0.50) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL7719571 1.00 EPHX1 (0.50) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL7723902 0.99 EPHX1 (0.48) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL1677833 0.89 EPHX1 (0.51) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL1678055 0.88 EPHX1 (0.48) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL7729401 0.88 HSD17B10 (0.48) EPHX1MAPTALDH1A1LMNATP53
SCHEMBL7723097 0.87 HSD17B10 (0.42) EPHX1MAPTNAMPTALDH1A1LMNA
SCHEMBL1677831 0.87 MAPT (0.47) EPHX1MAPTNAMPTALDH1A1PKM
SCHEMBL1677983 0.87 MAPT (0.47) EPHX1MAPTNAMPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL1678455 0.86 EPHX1 (0.46) EPHX1MAPTNAMPTALDH1A1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN disclosed
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
CN-1318051-A Novel urea derivative having aromatic nitrogen-containing heterocycle SANTEN PHARMACEUTICAL CO LTD (JP) 2001-10-17 CN disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
JP-2000119249-A NOVEL UREA DERIVATIVE HAVING NITROGEN-CONTAINING AROMATIC HETEROCYCLIC RING SANTEN PHARMACEUT CO LTD 2000-04-25 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 EPHX1 1295/4885MAPT 3782/4885NAMPT 3320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.